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authorEric Berquist2020-06-09 22:27:34 -0400
committerEric Berquist2020-06-09 22:27:34 -0400
commitfd1a298810e2c7c875935dedbd125030e608d59b (patch)
tree37085a09a27ee1ea597e5cac87b34601c89ef5c2
downloadaur-dftd3.tar.gz
initial commit
-rw-r--r--.SRCINFO16
-rw-r--r--.gitignore7
-rw-r--r--PKGBUILD32
3 files changed, 55 insertions, 0 deletions
diff --git a/.SRCINFO b/.SRCINFO
new file mode 100644
index 00000000000..54931a32b77
--- /dev/null
+++ b/.SRCINFO
@@ -0,0 +1,16 @@
+pkgbase = dftd3
+ pkgdesc = A dispersion correction for density functionals, Hartree-Fock and semi-empirical quantum chemical methods
+ pkgver = 3.2.0
+ pkgrel = 1
+ url = https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3/dft-d3
+ arch = x86_64
+ license = GPL
+ makedepends = git
+ makedepends = cmake
+ makedepends = gcc-fortran
+ depends = gcc-libs
+ source = git+https://github.com/loriab/dftd3.git#commit=da24707317cb6939b1fec60e1281a65f48ba7d73
+ sha256sums = SKIP
+
+pkgname = dftd3
+
diff --git a/.gitignore b/.gitignore
new file mode 100644
index 00000000000..9f4abcbfb12
--- /dev/null
+++ b/.gitignore
@@ -0,0 +1,7 @@
+# makepkg files
+pkg/
+src/
+*.tar.*
+
+# source files
+dftd3/
diff --git a/PKGBUILD b/PKGBUILD
new file mode 100644
index 00000000000..4562c40aa32
--- /dev/null
+++ b/PKGBUILD
@@ -0,0 +1,32 @@
+# Maintainer: Eric Berquist <eric dot berquist at gmail dot com>
+
+pkgname=dftd3
+pkgver=3.2.0
+pkgrel=1
+pkgdesc="A dispersion correction for density functionals, Hartree-Fock and semi-empirical quantum chemical methods"
+arch=('x86_64')
+url="https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3/dft-d3"
+license=('GPL')
+depends=('gcc-libs')
+makedepends=('git' 'cmake' 'gcc-fortran')
+# This commit corresponds to 3.2.0, but with a CMakeLists.txt for building,
+# rather than depending on the Makefile.
+source=("git+https://github.com/loriab/dftd3.git#commit=da24707317cb6939b1fec60e1281a65f48ba7d73")
+sha256sums=('SKIP')
+
+build() {
+ cd "${srcdir}/${pkgname}"
+ mkdir -p build
+ cd build
+
+ cmake \
+ -DCMAKE_INSTALL_PREFIX=/usr \
+ ..
+
+ make
+}
+
+package() {
+ cd "${srcdir}/${pkgname}/build"
+ make DESTDIR="${pkgdir}" install
+}